Molecule

ID:82766

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂NS
Molecular Mass
218.103
Exact Mass
216.95197553
Charge
0
InChI
InChI=1S/C8H5Cl2NS/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,4H2
InChIKey
YNQODSRRTQZVMK-UHFFFAOYSA-N
Canonic Smiles
N#CCSc1ccc(cc1Cl)Cl
Isomeric Smiles
N#CCSc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0341506
LogD (pH = 7.4)
3.0341506
Log P
3.0341506
Molar Refractivity
53.638
Polarizability
20.68765
Polar Surface Area
23.79
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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